3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide

C16H19N3O — CID 22366110

IUPAC3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide
SMILESCC1(C)CCc2ccccc2C1n1cncc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-16(2)8-7-11-5-3-4-6-12(11)14(16)19-10-18-9-13(19)15(17)20/h3-6,9-10,14H,7-8H2,1-2H3,(H2,17,20)
InChIKeyLYJPGBFOWOJFAB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds2

About 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide

3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide (PubChem CID 22366110) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide
PubChem CID22366110
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide
SMILESCC1(C)CCc2ccccc2C1n1cncc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-16(2)8-7-11-5-3-4-6-12(11)14(16)19-10-18-9-13(19)15(17)20/h3-6,9-10,14H,7-8H2,1-2H3,(H2,17,20)
InChIKeyLYJPGBFOWOJFAB-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide (CID 22366110) is 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide is CC1(C)CCc2ccccc2C1n1cncc1C(N)=O.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide?
The InChIKey is LYJPGBFOWOJFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2)8-7-11-5-3-4-6-12(11)14(16)19-10-18-9-13(19)15(17)20/h3-6,9-10,14H,7-8H2,1-2H3,(H2,17,20).
What are the key properties of 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide?
3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazole-4-carboxamide is sourced from PubChem (CID 22366110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).